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CIF Information Card
Information card for 2015245
2015244 << 2015245 >> 2015246Preview
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Coordinates |
2015245.cif |
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Structure factors |
2015245.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20- tetrabenzoato)zinc(II) |
| Formula | - C57 H41 N5 O8 Zn - |
| Calculated formula | - C57 H41 N5 O8 Zn - |
| Title of publication | Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)‒pyridine complex, in which the porphyrin host structures are stabilized by porphyrin‒porphyrin stacking and C—H...O attractions |
| Authors of publication | Sankar Muniappan; Sophia Liptsman; Israel Goldberg |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | m140 - m143 |
| a | 17.4965 ± 0.0004 Å |
| b | 18.2617 ± 0.0002 Å |
| c | 19.0558 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6088.6 ± 0.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0946 |
| Residual factor for observed reflections | 0.0525 |
| Weighted residual factors for the observed reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for observed reflections | 0.902 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |